Cornell University

Department of Physics

Phys 480/680, Astro 690 January 22, 2002

Computational Physics, Spring 2002

Problem Set # 1

(Due Tuesday, February 5, 2002, in Computer Lab.)

Agenda and readings for the week of January 28:

Readings marked NR are from Numerical Recipes: The Art of Scientific Computing, 2 edition (in C). Readings marked LN are from the course lecture notes to be found at http://www.muchomas.lassp.cornell.edu/P480 .

• Lec1 01/22 (Tue): Course overview; Introduction to density functional theory.
  Reading: LN ``Overview of quantum mechanics ...'': 1, 2, 3.1-3.2, 4
• Lec2 01/29 (Tue): Energies in atoms, numerical integration.
  Reading: LN: ``Numerical Integration ...'' 1-4; NR 4.0-4.2.
• Lec3, 01/31 (Thu): Change of variables, Hartree potential in atoms, Poisson's equation, numerical solution of ordinary differential equations (ODEs).
  Reading: LN: ``Numerical Integration ...''; NR 16.0-16.1.
• Lab1, 02/05 (Tue)

• Contents
• Integration Routines
  • Driver program
  • Trapezoidal Rule
  • Simpson's Rule
  • Debugging
• Application to atoms
  • Normalization
  • Electron-Nuclear potential energy
  • Electron-electron potential energy
• About this document ...

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